4P00

Bacterial Cellulose Synthase in complex with cyclic-di-GMP and UDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	67.490, 216.790, 219.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.980 - 3.200
R-factor	0.21
Rwork	0.208
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.673
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.620	3.300
High resolution limit [Å]	3.200	3.200
Rmerge	0.168	1.085
Number of reflections	53311
<I/σ(I)>	8.7	2.1
Completeness [%]	98.7	99.5
Redundancy	4.7	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		303	1.65-1.9 M Sodium Acetate, 100 mM Sodium Citrate (pH 3-3.5)